Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA025802
PROPERTIES
| NPAID | NPA025802 |
|---|---|
| CLUSTER ID | 7804 |
| NODE ID | 3092 |
| NAME | Cycloheptamycin B |
| FORMULA | C47H66N8O12 |
| MOLECULAR WEIGHT (Da) | 935.0890 |
| ACCURATE MASS (Da) | 934.4800 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. Tü 6314 |
| InChIKey | KPMXCUTYVDCFKQ-RUZCHCODSA-N |
| InChI | InChI=1S/C47H66N8O12/c1-12-25(4)40-44(61)52-38(27(6)57)46(63)54(8)36(20-30-22-48-34-18-17-32(66-11)21-33(30)34)47(64)67-28(7)39(53-42(59)37(24(2)3)49-23-56)43(60)51-35(19-29-13-15-31(65-10)16-14-29)41(58)50-26(5)45(62)55(40)9/h13-18,21-28,35-40,48,57H,12,19-20H2,1-11H3,(H,49,56)(H,50,58)(H,51,60)(H,52,61)(H,53,59)/t25-,26+,27-,28+,35+,36-,37-,38-,39-,40+/m0/s1 |
| SMILES | CC[C@H](C)[C@@H]1C(=O)N[C@@H]([C@H](C)O)C(=O)N(C)[C@@H](CC2=C[NH]C3=C2C=C(OC)C=C3)C(=O)O[C@H](C)[C@H](NC(=O)[C@@H](NC=O)C(C)C)C(=O)N[C@H](CC2=CC=C(OC)C=C2)C(=O)N[C@H](C)C(=O)N1C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Qian, Zhengyi; Antosch, Janine; Wiese, Jutta; Imhoff, Johannes F.; Fiedler, Hans-Peter; Pöthig, Alexander; Gulder, Tobias A.M. Structures and biological activities of cycloheptamycins A and B Organic & Biomolecular Chemistry 2019 17 (27) 6595-6600. | ||
|---|---|---|---|
| DOI | 10.1039/c9ob01261c | PMID | 31246217 |
